BDBM50108437 3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one::CHEMBL293619

SMILES: [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O

InChI Key: InChIKey=OXDRZZFMJQDBIL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108437   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108437 (3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108437 (3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108437 (3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair